9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C21H27ClN4O2 — CID 120986638

About 9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120986638) has the molecular formula C21H27ClN4O2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
• PubChem CID: 120986638
• Molecular Formula: C21H27ClN4O2
• Molecular Weight: 402.93 g/mol
• Exact Mass: 402.18
• IUPAC Name: 9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
• SMILES: Cl.NC1C2CCCC1CC(C(=O)Nc1cccc(Cn3cccnc3=O)c1)C2
• InChI: InChI=1S/C21H26N4O2.ClH/c22-19-15-5-2-6-16(19)12-17(11-15)20(26)24-18-7-1-4-14(10-18)13-25-9-3-8-23-21(25)27;/h1,3-4,7-10,15-17,19H,2,5-6,11-13,22H2,(H,24,26);1H
• InChIKey: YDCZUKFTYZXWFR-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 90.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.93
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?

The IUPAC name of 9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120986638) is 9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

What is the SMILES notation for 9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?

The canonical SMILES for 9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)Nc1cccc(Cn3cccnc3=O)c1)C2.

What is the InChIKey of 9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?

The InChIKey is YDCZUKFTYZXWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.ClH/c22-19-15-5-2-6-16(19)12-17(11-15)20(26)24-18-7-1-4-14(10-18)13-25-9-3-8-23-21(25)27;/h1,3-4,7-10,15-17,19H,2,5-6,11-13,22H2,(H,24,26);1H.

What are the key properties of 9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?

9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 402.93 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120986638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).